4-(ethylamino)-6-methyl-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide

C10H18N2O2S3 — CID 123228065

IUPAC4-(ethylamino)-6-methyl-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESCCNC1CC(C)SC2SC(S(N)(=O)=O)=CC12
InChIInChI=1S/C10H18N2O2S3/c1-3-12-8-4-6(2)15-10-7(8)5-9(16-10)17(11,13)14/h5-8,10,12H,3-4H2,1-2H3,(H2,11,13,14)
InChIKeyYAYLOAXSZXSIGX-UHFFFAOYSA-N
MW294.47 g/mol
LogP1.31
Rot. Bonds3

About 4-(ethylamino)-6-methyl-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide

4-(ethylamino)-6-methyl-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide (PubChem CID 123228065) has the molecular formula C10H18N2O2S3 and a molecular weight of 294.47 g/mol. Its IUPAC name is 4-(ethylamino)-6-methyl-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-6-methyl-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide
PubChem CID123228065
Molecular FormulaC10H18N2O2S3
Molecular Weight294.47 g/mol
Exact Mass294.05
IUPAC Name4-(ethylamino)-6-methyl-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESCCNC1CC(C)SC2SC(S(N)(=O)=O)=CC12
InChIInChI=1S/C10H18N2O2S3/c1-3-12-8-4-6(2)15-10-7(8)5-9(16-10)17(11,13)14/h5-8,10,12H,3-4H2,1-2H3,(H2,11,13,14)
InChIKeyYAYLOAXSZXSIGX-UHFFFAOYSA-N
XLogP1.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(ethylamino)-6-methyl-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide with MolForge

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Related Compounds

(4S,6S)-4-(ethylamino)-6-methyl-1,7,7-trioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 68990769
(4S,6S)-4-(ethylamino)-6-methyl-1,1-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 69713443
(2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-sulfonamide
CID 91973858
(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide
CID 66524356
(3aR,4S,6S,7aR)-4-(ethylamino)-6-methyl-7,7-dioxo-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide
CID 93604404
(3aR,4S,6S,7aS)-4-(ethylamino)-6-methyl-7,7-dioxo-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide
CID 93604405
(3aS,4S,6S,7aR)-4-(ethylamino)-6-methyl-7,7-dioxo-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide
CID 93604406
(3aS,4S,6S,7aS)-4-(ethylamino)-6-methyl-7,7-dioxo-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide
CID 93604408
(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride
CID 123134478

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-6-methyl-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide?
The IUPAC name of 4-(ethylamino)-6-methyl-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide (CID 123228065) is 4-(ethylamino)-6-methyl-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-6-methyl-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide?
The canonical SMILES for 4-(ethylamino)-6-methyl-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide is CCNC1CC(C)SC2SC(S(N)(=O)=O)=CC12.
What is the InChIKey of 4-(ethylamino)-6-methyl-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide?
The InChIKey is YAYLOAXSZXSIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S3/c1-3-12-8-4-6(2)15-10-7(8)5-9(16-10)17(11,13)14/h5-8,10,12H,3-4H2,1-2H3,(H2,11,13,14).
What are the key properties of 4-(ethylamino)-6-methyl-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide?
4-(ethylamino)-6-methyl-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide has a molecular weight of 294.47 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-6-methyl-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-2-sulfonamide is sourced from PubChem (CID 123228065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).